N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine

C20H25BrN2 — CID 166630652

IUPACN-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESBrc1ccc(CN(CCc2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C20H25BrN2/c21-19-8-6-18(7-9-19)16-23(20-10-13-22-14-11-20)15-12-17-4-2-1-3-5-17/h1-9,20,22H,10-16H2
InChIKeyFCGCOIGBRBBCEO-UHFFFAOYSA-N
MW373.34 g/mol
LogP4.25
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine

N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 166630652) has the molecular formula C20H25BrN2 and a molecular weight of 373.34 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
PubChem CID166630652
Molecular FormulaC20H25BrN2
Molecular Weight373.34 g/mol
Exact Mass372.12
IUPAC NameN-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
SMILESBrc1ccc(CN(CCc2ccccc2)C2CCNCC2)cc1
InChIInChI=1S/C20H25BrN2/c21-19-8-6-18(7-9-19)16-23(20-10-13-22-14-11-20)15-12-17-4-2-1-3-5-17/h1-9,20,22H,10-16H2
InChIKeyFCGCOIGBRBBCEO-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine (CID 166630652) is N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is Brc1ccc(CN(CCc2ccccc2)C2CCNCC2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is FCGCOIGBRBBCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2/c21-19-8-6-18(7-9-19)16-23(20-10-13-22-14-11-20)15-12-17-4-2-1-3-5-17/h1-9,20,22H,10-16H2.
What are the key properties of N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine?
N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 373.34 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 166630652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).